N-[(1E)-buta-1,3-dienyl]-N-propylacetamide

C9H15NO — CID 11137362

IUPACN-[(1E)-buta-1,3-dienyl]-N-propylacetamide
SMILESC=C/C=C/N(CCC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3/b8-6+
InChIKeyDEENMSHTVOBFTM-SOFGYWHQSA-N
MW153.22 g/mol
LogP1.94
Rot. Bonds4

About N-[(1E)-buta-1,3-dienyl]-N-propylacetamide

N-[(1E)-buta-1,3-dienyl]-N-propylacetamide (PubChem CID 11137362) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(1E)-buta-1,3-dienyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(1E)-buta-1,3-dienyl]-N-propylacetamide
PubChem CID11137362
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(1E)-buta-1,3-dienyl]-N-propylacetamide
SMILESC=C/C=C/N(CCC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3/b8-6+
InChIKeyDEENMSHTVOBFTM-SOFGYWHQSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E)-buta-1,3-dienyl]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-buta-1,3-dienyl]-N-propylacetamide?
The IUPAC name of N-[(1E)-buta-1,3-dienyl]-N-propylacetamide (CID 11137362) is N-[(1E)-buta-1,3-dienyl]-N-propylacetamide.
What is the SMILES notation for N-[(1E)-buta-1,3-dienyl]-N-propylacetamide?
The canonical SMILES for N-[(1E)-buta-1,3-dienyl]-N-propylacetamide is C=C/C=C/N(CCC)C(C)=O.
What is the InChIKey of N-[(1E)-buta-1,3-dienyl]-N-propylacetamide?
The InChIKey is DEENMSHTVOBFTM-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3/b8-6+.
What are the key properties of N-[(1E)-buta-1,3-dienyl]-N-propylacetamide?
N-[(1E)-buta-1,3-dienyl]-N-propylacetamide has a molecular weight of 153.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-buta-1,3-dienyl]-N-propylacetamide is sourced from PubChem (CID 11137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).